[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(4-cyanophenyl)propanoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC(=O)NC(=O)COC(=O)CCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CSC(=C1)CCNC(=O)NC(=O)COC(=O)CCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H19N3O4S/c20-12-15-5-3-14(4-6-15)7-8-18(24)26-13-17(23)22-19(25)21-10-9-16-2-1-11-27-16/h1-6,11H,7-10,13H2,(H2,21,22,23,25)